(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone

C16H17NO — CID 116917283

IUPAC(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone
SMILESCNc1cccc(C(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H17NO/c1-11-7-8-14(9-12(11)2)16(18)13-5-4-6-15(10-13)17-3/h4-10,17H,1-3H3
InChIKeyNBYVBRKSDRSAGO-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.58
Rot. Bonds3

About (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone

(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone (PubChem CID 116917283) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone
PubChem CID116917283
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone
SMILESCNc1cccc(C(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H17NO/c1-11-7-8-14(9-12(11)2)16(18)13-5-4-6-15(10-13)17-3/h4-10,17H,1-3H3
InChIKeyNBYVBRKSDRSAGO-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
N-[3-(3,4-dimethylbenzoyl)phenyl]-1,1,1-trifluoromethanesulfonamide
CID 71388181
2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide
CID 168520748
N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide
CID 766020
(2-methoxy-4,6-dimethylphenyl)-[3-(methylamino)phenyl]methanone
CID 116917333
3-(methylamino)benzamide
CID 18727714
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
1,3-benzodioxol-5-yl-[3-(methylamino)phenyl]methanone
CID 116917301
ethane;3-(methylamino)benzamide
CID 142071023
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481355
(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone (CID 116917283) is (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone is CNc1cccc(C(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone?
The InChIKey is NBYVBRKSDRSAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-7-8-14(9-12(11)2)16(18)13-5-4-6-15(10-13)17-3/h4-10,17H,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone?
(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone has a molecular weight of 239.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone is sourced from PubChem (CID 116917283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).